3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide

C15H19N3O3 — CID 50957560

IUPAC3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide
SMILESCOc1cc(OC)c2nc(NCCC(N)=O)cc(C)c2c1
InChIInChI=1S/C15H19N3O3/c1-9-6-14(17-5-4-13(16)19)18-15-11(9)7-10(20-2)8-12(15)21-3/h6-8H,4-5H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyNYVCZNGRYASTBQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.85
Rot. Bonds6

About 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide

3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide (PubChem CID 50957560) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide
PubChem CID50957560
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide
SMILESCOc1cc(OC)c2nc(NCCC(N)=O)cc(C)c2c1
InChIInChI=1S/C15H19N3O3/c1-9-6-14(17-5-4-13(16)19)18-15-11(9)7-10(20-2)8-12(15)21-3/h6-8H,4-5H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyNYVCZNGRYASTBQ-UHFFFAOYSA-N
XLogP1.85
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine
CID 166617250
6,8-dimethoxy-4-methylquinoline-2-carbothioamide
CID 82574234
1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528
3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanamide
CID 106660291
6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride
CID 154915409
3-(4-chloro-2,5-dimethoxyanilino)propanamide
CID 43132016
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine
CID 31196496
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202

Frequently Asked Questions

What is the IUPAC name of 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide?
The IUPAC name of 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide (CID 50957560) is 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide is COc1cc(OC)c2nc(NCCC(N)=O)cc(C)c2c1.
What is the InChIKey of 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide?
The InChIKey is NYVCZNGRYASTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-6-14(17-5-4-13(16)19)18-15-11(9)7-10(20-2)8-12(15)21-3/h6-8H,4-5H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide?
3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide is sourced from PubChem (CID 50957560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).